4-ethyl-1-[(2-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(2-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C14H20FN2O+ MolecularWeight: 251.319803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=CC=C2F

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=CC=C2F

InChI

InChI=1S/C14H19FN2O/c1-2-17-10-9-16(8-7-14(17)18)11-12-5-3-4-6-13(12)15/h3-6H,2,7-11H2,1H3/p+1